Progress in solid state and coordination chemistry of actinides in China
In the past decade, the area of solid state chemistry of actinides has witnessed a rapid
development in China, based on the significantly increased proportion of the number of …
development in China, based on the significantly increased proportion of the number of …
Unwilling U–U bonding in U 2@ C 80: cage-driven metal–metal bonds in di-uranium fullerenes
Endohedral actinide fullerenes are rare and a little is known about their molecular
properties. Here we characterize the U2@ C80 system, which was recently detected …
properties. Here we characterize the U2@ C80 system, which was recently detected …
Formation of Spherical Aromatic Endohedral Metallic Fullerenes. Evaluation of Magnetic Properties of M@C28 (M = Ti, Zr, and Hf) from DFT calculations
A Muñoz-Castro, RB King - Inorganic Chemistry, 2017 - ACS Publications
The small C28 cage has been shown experimentally to encapsulate titanium, zirconium, and
hafnium (M), among other elements. Here, we explore computationally its magnetic …
hafnium (M), among other elements. Here, we explore computationally its magnetic …
Th@C76. Computational characterization of larger actinide endohedral fullerenes
P Jin, C Liu, Y Li, L Li, Y Zhao - International Journal of …, 2018 - Wiley Online Library
The actinide endohedral fullerene Th@ C76 was successfully prepared in a very recent
experiment (Wang et al., J. Am. Chem. Soc. 2017, 139, 5110) yet without any structural …
experiment (Wang et al., J. Am. Chem. Soc. 2017, 139, 5110) yet without any structural …
M@C50 as Higher Intermediates towards Large Endohedral Metallofullerenes: Theoretical Characterization, Aromatic and Bonding Properties from Relativistic DFT …
A Miralrio, A Muñoz-Castro, RB King… - The Journal of …, 2018 - ACS Publications
In recent years, endohedral metallofullerenes involving the C50 cages have been observed
experimentally to encapsulate several metal atoms. This is the last step in a bottom-up …
experimentally to encapsulate several metal atoms. This is the last step in a bottom-up …
Properties of the Only Thorium Fullerene, Th@C84, Uncovered
J Kaminský, J Vícha, P Bouř… - The Journal of Physical …, 2017 - ACS Publications
Only a single thorium fullerene, Th@ C84, has been reported to date (Akiyama, K.; et al. J.
Nucl. Radiochem. Sci. 2002, 3, 151–154). Although the system was characterized by UV–vis …
Nucl. Radiochem. Sci. 2002, 3, 151–154). Although the system was characterized by UV–vis …
Evaluation of bonding, electron affinity, and optical properties of M@C28 (M = Zr, Hf, Th, and U): Role of d‐ and f‐orbitals in endohedral fullerenes from relativistic …
A Muñoz‐Castro, R Bruce King - Journal of Computational …, 2017 - Wiley Online Library
The experimentally characterized endohedral metallic fullerenes involving the small C28
cage, has shown to be able to encapsulate zirconium, hafnium, and uranium atoms, among …
cage, has shown to be able to encapsulate zirconium, hafnium, and uranium atoms, among …
Pu@C24: A New Example Satisfying the 32-Electron Principle
A transition in point group symmetry from C 2 to D 6d in the classical cage isomer of C24
cluster is observed after encapsulation of a plutonium atom within it. This encapsulation …
cluster is observed after encapsulation of a plutonium atom within it. This encapsulation …
Encapsulation of an f-block metal atom/ion to enhance the stability of C 20 with the I h symmetry
F Meng, Z Zhou, P Zhang, M Jiang, X Xu… - Physical Chemistry …, 2015 - pubs.rsc.org
Based on the density functional theory, the geometric and electronic structures, chemical
stability, and bonding properties of the endohedral metallofullerenes, M@ C20 (M= Eu3 …
stability, and bonding properties of the endohedral metallofullerenes, M@ C20 (M= Eu3 …
New theoretical insights into high-coordination-number complexes in actinides-centered borane
SX Hu, P Zhang, W Zou, P Zhang - Nanoscale, 2020 - pubs.rsc.org
The coordination number of a given element affects its behavior, and consequently, there is
great interest in understanding the related chemistry, which could greatly promote the …
great interest in understanding the related chemistry, which could greatly promote the …